Glycoside
GD140685
Name:
7-hydroxy-3-(hydroxymethyl)-2-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzofuran-5-carbaldehydeFormula:
C23H26O11Smiles:
COc1cc(C2Oc3c(O)cc(C=O)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(C2Oc3c(O)cc(C=O)cc3C2CO)ccc1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | -0.4 | Num_rotatable_bonds: | 7 |
| MolWt: | 478.45 | Num_heavy_atoms: | 34 |
| TPSA: | 175.37 | NumAromaticRings: | 2 |
Unique Aglycone
AD56720
Formula: C17H16O6
Smiles:
COc1cc(C2Oc3c(O)cc(C=O)cc3C2CO)ccc1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.24 |
| AlogP: | 2.13 | Num_rotatable_bonds: | 4 |
| MolWt: | 316.31 | Num_heavy_atoms: | 23 |
| TPSA: | 96.22 | NumAromaticRings: | 2 |
